4-chloro-2-(oxan-2-yl)-5-(oxan-3-ylmethylamino)pyridazin-3-one

C15H22ClN3O3 — CID 170109330

IUPAC4-chloro-2-(oxan-2-yl)-5-(oxan-3-ylmethylamino)pyridazin-3-one
SMILESO=c1c(Cl)c(NCC2CCCOC2)cnn1C1CCCCO1
InChIInChI=1S/C15H22ClN3O3/c16-14-12(17-8-11-4-3-6-21-10-11)9-18-19(15(14)20)13-5-1-2-7-22-13/h9,11,13,17H,1-8,10H2
InChIKeyNEZTWXFFASKNKW-UHFFFAOYSA-N
MW327.81 g/mol
LogP2.43
Rot. Bonds4

About 4-chloro-2-(oxan-2-yl)-5-(oxan-3-ylmethylamino)pyridazin-3-one

4-chloro-2-(oxan-2-yl)-5-(oxan-3-ylmethylamino)pyridazin-3-one (PubChem CID 170109330) has the molecular formula C15H22ClN3O3 and a molecular weight of 327.81 g/mol. Its IUPAC name is 4-chloro-2-(oxan-2-yl)-5-(oxan-3-ylmethylamino)pyridazin-3-one.

Molecular Properties

Compound Name4-chloro-2-(oxan-2-yl)-5-(oxan-3-ylmethylamino)pyridazin-3-one
PubChem CID170109330
Molecular FormulaC15H22ClN3O3
Molecular Weight327.81 g/mol
Exact Mass327.13
IUPAC Name4-chloro-2-(oxan-2-yl)-5-(oxan-3-ylmethylamino)pyridazin-3-one
SMILESO=c1c(Cl)c(NCC2CCCOC2)cnn1C1CCCCO1
InChIInChI=1S/C15H22ClN3O3/c16-14-12(17-8-11-4-3-6-21-10-11)9-18-19(15(14)20)13-5-1-2-7-22-13/h9,11,13,17H,1-8,10H2
InChIKeyNEZTWXFFASKNKW-UHFFFAOYSA-N
XLogP2.43
TPSA65.38 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.81
LogP ≤ 52.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-2-(oxan-2-yl)-5-(oxan-3-ylmethylamino)pyridazin-3-one?
The IUPAC name of 4-chloro-2-(oxan-2-yl)-5-(oxan-3-ylmethylamino)pyridazin-3-one (CID 170109330) is 4-chloro-2-(oxan-2-yl)-5-(oxan-3-ylmethylamino)pyridazin-3-one.
What is the SMILES notation for 4-chloro-2-(oxan-2-yl)-5-(oxan-3-ylmethylamino)pyridazin-3-one?
The canonical SMILES for 4-chloro-2-(oxan-2-yl)-5-(oxan-3-ylmethylamino)pyridazin-3-one is O=c1c(Cl)c(NCC2CCCOC2)cnn1C1CCCCO1.
What is the InChIKey of 4-chloro-2-(oxan-2-yl)-5-(oxan-3-ylmethylamino)pyridazin-3-one?
The InChIKey is NEZTWXFFASKNKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22ClN3O3/c16-14-12(17-8-11-4-3-6-21-10-11)9-18-19(15(14)20)13-5-1-2-7-22-13/h9,11,13,17H,1-8,10H2.
What are the key properties of 4-chloro-2-(oxan-2-yl)-5-(oxan-3-ylmethylamino)pyridazin-3-one?
4-chloro-2-(oxan-2-yl)-5-(oxan-3-ylmethylamino)pyridazin-3-one has a molecular weight of 327.81 g/mol, XLogP of 2.43, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-2-(oxan-2-yl)-5-(oxan-3-ylmethylamino)pyridazin-3-one is sourced from PubChem (CID 170109330), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).